! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
F    1.4374385866   2.1250287184  -1.2212780350
F    2.1838859706   0.5841965394  -2.5721592233
O    0.9503420030  -1.0477551115   1.7824984104
N    0.5912480370  -0.8865054415  -0.4448105937
N    4.7547546323   0.3730054795   0.8966700016
N    4.4564412785   1.0727960814  -0.1891721862
C   -3.1785002663   1.0117516662   0.7965310045
C   -1.7988879456   0.4230624168   1.1744854868
C   -3.9161993999  -0.3343165304   0.9946065663
C   -2.1048625881  -0.1268355028   2.5893909694
C   -3.5597200797  -0.6414030052   2.4669563779
C   -1.7503243499  -0.7645412871   0.2527004258
C   -3.0629086666  -1.2393897457   0.1471294915
C   -3.3050894146   1.6683942901  -0.5751616638
C   -0.7310049974  -1.3782797014  -0.4512558561
C   -3.3741913451  -2.3275764589  -0.6409728565
C   -2.3103586588   2.8142406320  -0.7276629199
C   -4.7286689199   2.1693002998  -0.7962069987
C   -1.0429857442  -2.4723000496  -1.2654058469
C   -2.3440052964  -2.9386709198  -1.3577235426
C    1.3345076581  -0.7150198332   0.6691593421
C    2.6647500477  -0.1133026440   0.4817061203
C    3.1996538952   0.7900954448  -0.4637106814
C    3.7169202487  -0.3390445197   1.3455391054
C    2.5711246354   1.4830225837  -1.6140172739
C    6.0740220083   0.4623965984   1.4799048524
H   -3.4960612586   1.7399998525   1.5539150311
H   -0.9465552850   1.0985043722   1.1356387172
H   -4.9830208332  -0.3594107695   0.7769083155
H   -2.0310051513   0.6776422650   3.3228051660
H   -1.4014833990  -0.9022836791   2.8848764161
H   -3.6571519565  -1.7020710946   2.7001300271
H   -4.2307002407  -0.0999070047   3.1357243730
H   -3.0838142069   0.9269324668  -1.3503256886
H   -4.3917561844  -2.6881635636  -0.7267291693
H   -1.2768608625   2.4658081161  -0.7054995815
H   -2.4541948072   3.3336304927  -1.6770360974
H   -2.4282736251   3.5514441356   0.0706928902
H   -5.4607161610   1.3615685139  -0.7500655775
H   -5.0063378534   2.9099214542  -0.0418892342
H   -4.8304481056   2.6434671016  -1.7740558782
H   -0.2567502594  -2.9522156330  -1.8351831989
H   -2.5595753576  -3.7827625594  -1.9998197664
H    1.0441019900  -0.8086431633  -1.3415750967
H    3.7863155783  -0.9633515812   2.2212710201
H    3.2467878482   2.2014156672  -2.0765484896
H    6.2520594108   1.4651874270   1.8609901683
H    6.1443031376  -0.2458857345   2.2989359430
H    6.8278386448   0.2200990808   0.7356487750
*